4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide

C21H34N4O4 — CID 161414096

IUPAC4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2ccccc2)CCO1.CN(C)C(=O)C1CNCCO1
InChIInChI=1S/C14H20N2O2.C7H14N2O2/c1-15(2)14(17)13-11-16(8-9-18-13)10-12-6-4-3-5-7-12;1-9(2)7(10)6-5-8-3-4-11-6/h3-7,13H,8-11H2,1-2H3;6,8H,3-5H2,1-2H3
InChIKeyVVVRXHLPSMSOGO-UHFFFAOYSA-N
MW406.53 g/mol
LogP0.04
Rot. Bonds4

About 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide

4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide (PubChem CID 161414096) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
PubChem CID161414096
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Name4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2ccccc2)CCO1.CN(C)C(=O)C1CNCCO1
InChIInChI=1S/C14H20N2O2.C7H14N2O2/c1-15(2)14(17)13-11-16(8-9-18-13)10-12-6-4-3-5-7-12;1-9(2)7(10)6-5-8-3-4-11-6/h3-7,13H,8-11H2,1-2H3;6,8H,3-5H2,1-2H3
InChIKeyVVVRXHLPSMSOGO-UHFFFAOYSA-N
XLogP0.04
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131947858
(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572360
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide (CID 161414096) is 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide is CN(C)C(=O)C1CN(Cc2ccccc2)CCO1.CN(C)C(=O)C1CNCCO1.
What is the InChIKey of 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide?
The InChIKey is VVVRXHLPSMSOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C7H14N2O2/c1-15(2)14(17)13-11-16(8-9-18-13)10-12-6-4-3-5-7-12;1-9(2)7(10)6-5-8-3-4-11-6/h3-7,13H,8-11H2,1-2H3;6,8H,3-5H2,1-2H3.
What are the key properties of 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide?
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 161414096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).